1-[2-oxidanyl-2-oxidanylidene-1-(2-phenyl-1H-indol-3-yl)ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-oxidanyl-2-oxidanylidene-1-(2-phenyl-1H-indol-3-yl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-hydroxy-2-oxo-1-(2-phenyl-1H-indol-3-yl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-hydroxy-2-oxo-1-(2-phenyl-1H-indol-3-yl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-hydroxy-2-oxo-1-(2-phenyl-1H-indol-3-yl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-hydroxy-2-keto-1-(2-phenyl-1H-indol-3-yl)ethyl]nipecotic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C22H22N2O4/c25-21(26)15-9-6-12-24(13-15)20(22(27)28)18-16-10-4-5-11-17(16)23-19(18)14-7-2-1-3-8-14/h1-5,7-8,10-11,15,20,23H,6,9,12-13H2,(H,25,26)(H,27,28)